SCHEMBL6570775

SCHEMBL6570775

COc1ccc(-c2cc(N)ccc2N(CCO)CCO)c(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38
RPS6KA2 Q15349 1/20 0.35
CYP19A1 P11511 1/20 0.34
RET P07949 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
PRUNE1 Q86TP1 1/20 0.32
MAPK1 P28482 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6570844 0.91 TRIM24 (0.42) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6572193 0.88 ERN1 (0.39) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6571072 0.84 SRC (0.36) ERN1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL6572405 0.81 HDAC4 (0.42) ALDH1A1KDM4ERAB9ANPC1CYP19A1
SCHEMBL6571026 0.80 MEN1 (0.40) TRIM24TRIM33ALDH1A1RAB9ANPC1
SCHEMBL6571974 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL6574718 0.79 ERN1 (0.42) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6572640 0.79 ALDH1A1 (0.40) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL6571940 0.77 ALDH1A1 (0.42) TRIM24TRIM33ALDH1A1KDM4ECYP19A1
SCHEMBL7461348 0.77 MEN1 (0.31) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed